USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 290 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : S 5 TYR OH : rot 180:sc= 0 USER MOD Single : S 6 SER OG : rot 180:sc= 0 USER MOD Single : S 7 SER OG : rot -64:sc= 0.067 USER MOD Single : S 9 THR OG1 : rot 180:sc= 0 USER MOD Single : S 12 GLN : amide:sc= -9.02! C(o=-9!,f=-9.1!) USER MOD Single : S 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : S 18 THR OG1 : rot 71:sc= 0.999 USER MOD Single : S 19 LYS NZ :NH3+ 150:sc= -0.0673 (180deg=-0.521) USER MOD Single : S 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : S 23 SER OG : rot 180:sc= 0.108 USER MOD Single : S 28 LYS NZ :NH3+ -179:sc= 1.19 (180deg=1.13) USER MOD Single : S 29 ASN : amide:sc= -0.14 K(o=-0.14,f=-0.93) USER MOD Single : S 33 GLN : amide:sc= -0.777 K(o=-0.78,f=-0.063) USER MOD Single : S 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N ASP S 4 28.363 13.155 22.064 1.00 0.00 N ATOM 32 CA ASP S 4 28.438 12.425 20.763 1.00 0.00 C ATOM 33 C ASP S 4 29.209 13.246 19.727 1.00 0.00 C ATOM 34 O ASP S 4 30.417 13.196 19.662 1.00 0.00 O ATOM 35 CB ASP S 4 26.986 12.213 20.305 1.00 0.00 C ATOM 36 CG ASP S 4 26.115 13.398 20.737 1.00 0.00 C ATOM 37 OD1 ASP S 4 26.213 14.439 20.109 1.00 0.00 O ATOM 38 OD2 ASP S 4 25.367 13.242 21.689 1.00 0.00 O ATOM 0 HA ASP S 4 28.963 11.476 20.874 1.00 0.00 H new ATOM 0 HB2 ASP S 4 26.951 12.103 19.221 1.00 0.00 H new ATOM 0 HB3 ASP S 4 26.594 11.290 20.731 1.00 0.00 H new ATOM 43 N TYR S 5 28.510 13.986 18.911 1.00 0.00 N ATOM 44 CA TYR S 5 29.179 14.798 17.847 1.00 0.00 C ATOM 45 C TYR S 5 30.328 15.624 18.415 1.00 0.00 C ATOM 46 O TYR S 5 31.304 15.861 17.727 1.00 0.00 O ATOM 47 CB TYR S 5 28.082 15.718 17.325 1.00 0.00 C ATOM 48 CG TYR S 5 26.868 14.890 17.015 1.00 0.00 C ATOM 49 CD1 TYR S 5 27.020 13.666 16.359 1.00 0.00 C ATOM 50 CD2 TYR S 5 25.596 15.338 17.386 1.00 0.00 C ATOM 51 CE1 TYR S 5 25.895 12.882 16.070 1.00 0.00 C ATOM 52 CE2 TYR S 5 24.470 14.556 17.099 1.00 0.00 C ATOM 53 CZ TYR S 5 24.619 13.328 16.441 1.00 0.00 C ATOM 54 OH TYR S 5 23.510 12.559 16.158 1.00 0.00 O ATOM 0 H TYR S 5 27.493 14.066 18.934 1.00 0.00 H new ATOM 0 HA TYR S 5 29.612 14.167 17.071 1.00 0.00 H new ATOM 0 HB2 TYR S 5 27.841 16.479 18.068 1.00 0.00 H new ATOM 0 HB3 TYR S 5 28.421 16.241 16.431 1.00 0.00 H new ATOM 0 HD1 TYR S 5 28.004 13.324 16.075 1.00 0.00 H new ATOM 0 HD2 TYR S 5 25.482 16.285 17.893 1.00 0.00 H new ATOM 0 HE1 TYR S 5 26.011 11.936 15.562 1.00 0.00 H new ATOM 0 HE2 TYR S 5 23.487 14.900 17.385 1.00 0.00 H new ATOM 0 HH TYR S 5 22.705 13.013 16.484 1.00 0.00 H new ATOM 64 N SER S 6 30.204 16.051 19.655 1.00 0.00 N ATOM 65 CA SER S 6 31.266 16.876 20.333 1.00 0.00 C ATOM 66 C SER S 6 32.443 17.181 19.400 1.00 0.00 C ATOM 67 O SER S 6 32.637 18.303 18.977 1.00 0.00 O ATOM 68 CB SER S 6 31.733 16.017 21.507 1.00 0.00 C ATOM 69 OG SER S 6 32.928 16.566 22.046 1.00 0.00 O ATOM 0 H SER S 6 29.391 15.857 20.240 1.00 0.00 H new ATOM 0 HA SER S 6 30.874 17.845 20.642 1.00 0.00 H new ATOM 0 HB2 SER S 6 30.959 15.978 22.274 1.00 0.00 H new ATOM 0 HB3 SER S 6 31.907 14.993 21.177 1.00 0.00 H new ATOM 0 HG SER S 6 33.229 16.018 22.800 1.00 0.00 H new ATOM 75 N SER S 7 33.228 16.188 19.072 1.00 0.00 N ATOM 76 CA SER S 7 34.381 16.427 18.160 1.00 0.00 C ATOM 77 C SER S 7 34.722 15.156 17.374 1.00 0.00 C ATOM 78 O SER S 7 35.840 14.679 17.415 1.00 0.00 O ATOM 79 CB SER S 7 35.537 16.809 19.082 1.00 0.00 C ATOM 80 OG SER S 7 36.608 17.327 18.301 1.00 0.00 O ATOM 0 H SER S 7 33.120 15.227 19.395 1.00 0.00 H new ATOM 0 HA SER S 7 34.166 17.201 17.424 1.00 0.00 H new ATOM 0 HB2 SER S 7 35.208 17.552 19.808 1.00 0.00 H new ATOM 0 HB3 SER S 7 35.871 15.938 19.646 1.00 0.00 H new ATOM 0 HG SER S 7 36.949 16.626 17.707 1.00 0.00 H new ATOM 86 N LEU S 8 33.784 14.602 16.646 1.00 0.00 N ATOM 87 CA LEU S 8 34.113 13.364 15.861 1.00 0.00 C ATOM 88 C LEU S 8 35.012 13.735 14.683 1.00 0.00 C ATOM 89 O LEU S 8 35.262 14.894 14.421 1.00 0.00 O ATOM 90 CB LEU S 8 32.792 12.771 15.319 1.00 0.00 C ATOM 91 CG LEU S 8 31.596 13.162 16.185 1.00 0.00 C ATOM 92 CD1 LEU S 8 30.400 12.274 15.833 1.00 0.00 C ATOM 93 CD2 LEU S 8 31.956 12.961 17.658 1.00 0.00 C ATOM 0 H LEU S 8 32.826 14.940 16.559 1.00 0.00 H new ATOM 0 HA LEU S 8 34.626 12.641 16.495 1.00 0.00 H new ATOM 0 HB2 LEU S 8 32.630 13.117 14.298 1.00 0.00 H new ATOM 0 HB3 LEU S 8 32.871 11.685 15.278 1.00 0.00 H new ATOM 0 HG LEU S 8 31.340 14.206 16.006 1.00 0.00 H new ATOM 0 HD11 LEU S 8 29.546 12.552 16.451 1.00 0.00 H new ATOM 0 HD12 LEU S 8 30.146 12.406 14.781 1.00 0.00 H new ATOM 0 HD13 LEU S 8 30.655 11.230 16.016 1.00 0.00 H new ATOM 0 HD21 LEU S 8 31.106 13.239 18.281 1.00 0.00 H new ATOM 0 HD22 LEU S 8 32.207 11.915 17.832 1.00 0.00 H new ATOM 0 HD23 LEU S 8 32.812 13.586 17.912 1.00 0.00 H new ATOM 105 N THR S 9 35.474 12.764 13.948 1.00 0.00 N ATOM 106 CA THR S 9 36.319 13.076 12.767 1.00 0.00 C ATOM 107 C THR S 9 35.397 13.557 11.645 1.00 0.00 C ATOM 108 O THR S 9 34.297 13.070 11.493 1.00 0.00 O ATOM 109 CB THR S 9 36.998 11.755 12.400 1.00 0.00 C ATOM 110 OG1 THR S 9 38.097 11.533 13.272 1.00 0.00 O ATOM 111 CG2 THR S 9 37.492 11.818 10.957 1.00 0.00 C ATOM 0 H THR S 9 35.303 11.772 14.114 1.00 0.00 H new ATOM 0 HA THR S 9 37.063 13.852 12.949 1.00 0.00 H new ATOM 0 HB THR S 9 36.284 10.937 12.500 1.00 0.00 H new ATOM 0 HG1 THR S 9 38.533 10.686 13.040 1.00 0.00 H new ATOM 0 HG21 THR S 9 37.976 10.876 10.697 1.00 0.00 H new ATOM 0 HG22 THR S 9 36.647 11.988 10.290 1.00 0.00 H new ATOM 0 HG23 THR S 9 38.207 12.634 10.852 1.00 0.00 H new ATOM 119 N VAL S 10 35.812 14.515 10.872 1.00 0.00 N ATOM 120 CA VAL S 10 34.911 15.022 9.799 1.00 0.00 C ATOM 121 C VAL S 10 34.335 13.855 8.991 1.00 0.00 C ATOM 122 O VAL S 10 33.185 13.875 8.588 1.00 0.00 O ATOM 123 CB VAL S 10 35.789 15.914 8.922 1.00 0.00 C ATOM 124 CG1 VAL S 10 34.908 16.685 7.938 1.00 0.00 C ATOM 125 CG2 VAL S 10 36.549 16.907 9.803 1.00 0.00 C ATOM 0 H VAL S 10 36.724 14.967 10.932 1.00 0.00 H new ATOM 0 HA VAL S 10 34.060 15.571 10.203 1.00 0.00 H new ATOM 0 HB VAL S 10 36.499 15.296 8.372 1.00 0.00 H new ATOM 0 HG11 VAL S 10 35.533 17.322 7.312 1.00 0.00 H new ATOM 0 HG12 VAL S 10 34.362 15.981 7.309 1.00 0.00 H new ATOM 0 HG13 VAL S 10 34.200 17.302 8.490 1.00 0.00 H new ATOM 0 HG21 VAL S 10 37.175 17.543 9.177 1.00 0.00 H new ATOM 0 HG22 VAL S 10 35.838 17.525 10.352 1.00 0.00 H new ATOM 0 HG23 VAL S 10 37.176 16.362 10.508 1.00 0.00 H new ATOM 135 N VAL S 11 35.107 12.832 8.762 1.00 0.00 N ATOM 136 CA VAL S 11 34.578 11.674 7.989 1.00 0.00 C ATOM 137 C VAL S 11 33.443 10.992 8.769 1.00 0.00 C ATOM 138 O VAL S 11 32.401 10.680 8.221 1.00 0.00 O ATOM 139 CB VAL S 11 35.788 10.739 7.792 1.00 0.00 C ATOM 140 CG1 VAL S 11 35.763 9.584 8.802 1.00 0.00 C ATOM 141 CG2 VAL S 11 35.753 10.166 6.374 1.00 0.00 C ATOM 0 H VAL S 11 36.075 12.746 9.073 1.00 0.00 H new ATOM 0 HA VAL S 11 34.150 11.965 7.030 1.00 0.00 H new ATOM 0 HB VAL S 11 36.700 11.315 7.948 1.00 0.00 H new ATOM 0 HG11 VAL S 11 36.628 8.940 8.640 1.00 0.00 H new ATOM 0 HG12 VAL S 11 35.794 9.986 9.815 1.00 0.00 H new ATOM 0 HG13 VAL S 11 34.849 9.004 8.669 1.00 0.00 H new ATOM 0 HG21 VAL S 11 36.606 9.504 6.228 1.00 0.00 H new ATOM 0 HG22 VAL S 11 34.830 9.605 6.231 1.00 0.00 H new ATOM 0 HG23 VAL S 11 35.798 10.981 5.651 1.00 0.00 H new ATOM 151 N GLN S 12 33.627 10.756 10.043 1.00 0.00 N ATOM 152 CA GLN S 12 32.547 10.096 10.820 1.00 0.00 C ATOM 153 C GLN S 12 31.388 11.077 11.054 1.00 0.00 C ATOM 154 O GLN S 12 30.238 10.692 11.017 1.00 0.00 O ATOM 155 CB GLN S 12 33.228 9.600 12.108 1.00 0.00 C ATOM 156 CG GLN S 12 32.933 10.495 13.304 1.00 0.00 C ATOM 157 CD GLN S 12 31.955 9.775 14.233 1.00 0.00 C ATOM 158 OE1 GLN S 12 32.137 9.754 15.434 1.00 0.00 O ATOM 159 NE2 GLN S 12 30.917 9.172 13.722 1.00 0.00 N ATOM 0 H GLN S 12 34.469 10.990 10.569 1.00 0.00 H new ATOM 0 HA GLN S 12 32.087 9.253 10.304 1.00 0.00 H new ATOM 0 HB2 GLN S 12 32.893 8.586 12.325 1.00 0.00 H new ATOM 0 HB3 GLN S 12 34.306 9.552 11.951 1.00 0.00 H new ATOM 0 HG2 GLN S 12 33.855 10.729 13.836 1.00 0.00 H new ATOM 0 HG3 GLN S 12 32.508 11.442 12.970 1.00 0.00 H new ATOM 0 HE21 GLN S 12 30.763 9.189 12.714 1.00 0.00 H new ATOM 0 HE22 GLN S 12 30.260 8.684 14.331 1.00 0.00 H new ATOM 168 N LEU S 13 31.665 12.349 11.238 1.00 0.00 N ATOM 169 CA LEU S 13 30.538 13.314 11.408 1.00 0.00 C ATOM 170 C LEU S 13 29.682 13.198 10.146 1.00 0.00 C ATOM 171 O LEU S 13 28.459 13.184 10.184 1.00 0.00 O ATOM 172 CB LEU S 13 31.179 14.709 11.511 1.00 0.00 C ATOM 173 CG LEU S 13 31.521 15.044 12.965 1.00 0.00 C ATOM 174 CD1 LEU S 13 33.038 15.085 13.133 1.00 0.00 C ATOM 175 CD2 LEU S 13 30.961 16.422 13.322 1.00 0.00 C ATOM 0 H LEU S 13 32.602 12.750 11.277 1.00 0.00 H new ATOM 0 HA LEU S 13 29.921 13.128 12.287 1.00 0.00 H new ATOM 0 HB2 LEU S 13 32.083 14.745 10.903 1.00 0.00 H new ATOM 0 HB3 LEU S 13 30.496 15.458 11.111 1.00 0.00 H new ATOM 0 HG LEU S 13 31.088 14.284 13.615 1.00 0.00 H new ATOM 0 HD11 LEU S 13 33.283 15.323 14.168 1.00 0.00 H new ATOM 0 HD12 LEU S 13 33.459 14.113 12.875 1.00 0.00 H new ATOM 0 HD13 LEU S 13 33.456 15.848 12.476 1.00 0.00 H new ATOM 0 HD21 LEU S 13 31.206 16.657 14.358 1.00 0.00 H new ATOM 0 HD22 LEU S 13 31.399 17.174 12.666 1.00 0.00 H new ATOM 0 HD23 LEU S 13 29.878 16.418 13.197 1.00 0.00 H new ATOM 187 N LYS S 14 30.338 13.061 9.023 1.00 0.00 N ATOM 188 CA LYS S 14 29.606 12.887 7.744 1.00 0.00 C ATOM 189 C LYS S 14 28.958 11.503 7.730 1.00 0.00 C ATOM 190 O LYS S 14 27.919 11.300 7.138 1.00 0.00 O ATOM 191 CB LYS S 14 30.671 12.997 6.652 1.00 0.00 C ATOM 192 CG LYS S 14 30.750 14.442 6.157 1.00 0.00 C ATOM 193 CD LYS S 14 32.043 14.641 5.366 1.00 0.00 C ATOM 194 CE LYS S 14 32.142 13.579 4.270 1.00 0.00 C ATOM 195 NZ LYS S 14 32.375 14.344 3.013 1.00 0.00 N ATOM 0 H LYS S 14 31.355 13.063 8.942 1.00 0.00 H new ATOM 0 HA LYS S 14 28.817 13.625 7.601 1.00 0.00 H new ATOM 0 HB2 LYS S 14 31.639 12.682 7.041 1.00 0.00 H new ATOM 0 HB3 LYS S 14 30.428 12.331 5.824 1.00 0.00 H new ATOM 0 HG2 LYS S 14 29.889 14.670 5.529 1.00 0.00 H new ATOM 0 HG3 LYS S 14 30.719 15.129 7.002 1.00 0.00 H new ATOM 0 HD2 LYS S 14 32.061 15.637 4.924 1.00 0.00 H new ATOM 0 HD3 LYS S 14 32.903 14.572 6.032 1.00 0.00 H new ATOM 0 HE2 LYS S 14 32.958 12.884 4.466 1.00 0.00 H new ATOM 0 HE3 LYS S 14 31.228 12.988 4.209 1.00 0.00 H new ATOM 0 HZ1 LYS S 14 32.454 13.683 2.214 1.00 0.00 H new ATOM 0 HZ2 LYS S 14 31.579 14.992 2.849 1.00 0.00 H new ATOM 0 HZ3 LYS S 14 33.255 14.891 3.098 1.00 0.00 H new ATOM 209 N ASP S 15 29.567 10.545 8.380 1.00 0.00 N ATOM 210 CA ASP S 15 28.976 9.176 8.402 1.00 0.00 C ATOM 211 C ASP S 15 27.627 9.191 9.133 1.00 0.00 C ATOM 212 O ASP S 15 26.637 8.694 8.629 1.00 0.00 O ATOM 213 CB ASP S 15 29.988 8.319 9.162 1.00 0.00 C ATOM 214 CG ASP S 15 29.534 6.858 9.146 1.00 0.00 C ATOM 215 OD1 ASP S 15 28.811 6.494 8.234 1.00 0.00 O ATOM 216 OD2 ASP S 15 29.917 6.130 10.046 1.00 0.00 O ATOM 0 H ASP S 15 30.442 10.651 8.893 1.00 0.00 H new ATOM 0 HA ASP S 15 28.789 8.792 7.399 1.00 0.00 H new ATOM 0 HB2 ASP S 15 30.973 8.410 8.705 1.00 0.00 H new ATOM 0 HB3 ASP S 15 30.080 8.671 10.189 1.00 0.00 H new ATOM 221 N LEU S 16 27.565 9.764 10.311 1.00 0.00 N ATOM 222 CA LEU S 16 26.259 9.798 11.031 1.00 0.00 C ATOM 223 C LEU S 16 25.273 10.687 10.274 1.00 0.00 C ATOM 224 O LEU S 16 24.130 10.322 10.073 1.00 0.00 O ATOM 225 CB LEU S 16 26.518 10.361 12.443 1.00 0.00 C ATOM 226 CG LEU S 16 27.640 11.400 12.455 1.00 0.00 C ATOM 227 CD1 LEU S 16 27.176 12.645 13.211 1.00 0.00 C ATOM 228 CD2 LEU S 16 28.862 10.808 13.161 1.00 0.00 C ATOM 0 H LEU S 16 28.348 10.202 10.796 1.00 0.00 H new ATOM 0 HA LEU S 16 25.828 8.799 11.098 1.00 0.00 H new ATOM 0 HB2 LEU S 16 25.603 10.813 12.825 1.00 0.00 H new ATOM 0 HB3 LEU S 16 26.775 9.543 13.116 1.00 0.00 H new ATOM 0 HG LEU S 16 27.898 11.672 11.431 1.00 0.00 H new ATOM 0 HD11 LEU S 16 27.976 13.385 13.219 1.00 0.00 H new ATOM 0 HD12 LEU S 16 26.299 13.064 12.718 1.00 0.00 H new ATOM 0 HD13 LEU S 16 26.921 12.375 14.236 1.00 0.00 H new ATOM 0 HD21 LEU S 16 29.667 11.543 13.174 1.00 0.00 H new ATOM 0 HD22 LEU S 16 28.598 10.542 14.184 1.00 0.00 H new ATOM 0 HD23 LEU S 16 29.193 9.917 12.629 1.00 0.00 H new ATOM 240 N LEU S 17 25.698 11.841 9.828 1.00 0.00 N ATOM 241 CA LEU S 17 24.763 12.718 9.069 1.00 0.00 C ATOM 242 C LEU S 17 24.359 12.022 7.769 1.00 0.00 C ATOM 243 O LEU S 17 23.221 12.087 7.344 1.00 0.00 O ATOM 244 CB LEU S 17 25.569 13.995 8.803 1.00 0.00 C ATOM 245 CG LEU S 17 25.284 15.098 9.847 1.00 0.00 C ATOM 246 CD1 LEU S 17 24.782 16.354 9.164 1.00 0.00 C ATOM 247 CD2 LEU S 17 24.235 14.685 10.887 1.00 0.00 C ATOM 0 H LEU S 17 26.641 12.209 9.955 1.00 0.00 H new ATOM 0 HA LEU S 17 23.839 12.937 9.604 1.00 0.00 H new ATOM 0 HB2 LEU S 17 26.633 13.758 8.810 1.00 0.00 H new ATOM 0 HB3 LEU S 17 25.332 14.370 7.807 1.00 0.00 H new ATOM 0 HG LEU S 17 26.231 15.274 10.358 1.00 0.00 H new ATOM 0 HD11 LEU S 17 24.586 17.122 9.913 1.00 0.00 H new ATOM 0 HD12 LEU S 17 25.536 16.714 8.464 1.00 0.00 H new ATOM 0 HD13 LEU S 17 23.862 16.131 8.623 1.00 0.00 H new ATOM 0 HD21 LEU S 17 24.080 15.502 11.591 1.00 0.00 H new ATOM 0 HD22 LEU S 17 23.295 14.455 10.385 1.00 0.00 H new ATOM 0 HD23 LEU S 17 24.584 13.803 11.425 1.00 0.00 H new ATOM 259 N THR S 18 25.271 11.326 7.152 1.00 0.00 N ATOM 260 CA THR S 18 24.922 10.601 5.900 1.00 0.00 C ATOM 261 C THR S 18 23.835 9.571 6.212 1.00 0.00 C ATOM 262 O THR S 18 22.870 9.428 5.488 1.00 0.00 O ATOM 263 CB THR S 18 26.215 9.909 5.465 1.00 0.00 C ATOM 264 OG1 THR S 18 27.114 10.876 4.939 1.00 0.00 O ATOM 265 CG2 THR S 18 25.901 8.864 4.392 1.00 0.00 C ATOM 0 H THR S 18 26.239 11.228 7.459 1.00 0.00 H new ATOM 0 HA THR S 18 24.542 11.258 5.117 1.00 0.00 H new ATOM 0 HB THR S 18 26.671 9.418 6.324 1.00 0.00 H new ATOM 0 HG1 THR S 18 27.447 11.443 5.666 1.00 0.00 H new ATOM 0 HG21 THR S 18 26.823 8.372 4.083 1.00 0.00 H new ATOM 0 HG22 THR S 18 25.212 8.123 4.797 1.00 0.00 H new ATOM 0 HG23 THR S 18 25.444 9.352 3.531 1.00 0.00 H new ATOM 273 N LYS S 19 23.985 8.862 7.301 1.00 0.00 N ATOM 274 CA LYS S 19 22.960 7.849 7.681 1.00 0.00 C ATOM 275 C LYS S 19 21.746 8.546 8.304 1.00 0.00 C ATOM 276 O LYS S 19 20.693 7.960 8.458 1.00 0.00 O ATOM 277 CB LYS S 19 23.653 6.952 8.708 1.00 0.00 C ATOM 278 CG LYS S 19 24.744 6.133 8.016 1.00 0.00 C ATOM 279 CD LYS S 19 24.978 4.835 8.792 1.00 0.00 C ATOM 280 CE LYS S 19 24.369 3.662 8.022 1.00 0.00 C ATOM 281 NZ LYS S 19 25.266 3.466 6.849 1.00 0.00 N ATOM 0 H LYS S 19 24.774 8.942 7.943 1.00 0.00 H new ATOM 0 HA LYS S 19 22.598 7.279 6.825 1.00 0.00 H new ATOM 0 HB2 LYS S 19 24.088 7.559 9.502 1.00 0.00 H new ATOM 0 HB3 LYS S 19 22.926 6.288 9.176 1.00 0.00 H new ATOM 0 HG2 LYS S 19 24.450 5.908 6.991 1.00 0.00 H new ATOM 0 HG3 LYS S 19 25.668 6.709 7.963 1.00 0.00 H new ATOM 0 HD2 LYS S 19 26.046 4.673 8.937 1.00 0.00 H new ATOM 0 HD3 LYS S 19 24.529 4.905 9.783 1.00 0.00 H new ATOM 0 HE2 LYS S 19 24.324 2.765 8.639 1.00 0.00 H new ATOM 0 HE3 LYS S 19 23.349 3.883 7.707 1.00 0.00 H new ATOM 0 HZ1 LYS S 19 25.262 2.463 6.572 1.00 0.00 H new ATOM 0 HZ2 LYS S 19 24.930 4.046 6.054 1.00 0.00 H new ATOM 0 HZ3 LYS S 19 26.234 3.751 7.101 1.00 0.00 H new ATOM 295 N ARG S 20 21.888 9.794 8.666 1.00 0.00 N ATOM 296 CA ARG S 20 20.747 10.534 9.281 1.00 0.00 C ATOM 297 C ARG S 20 19.886 11.180 8.195 1.00 0.00 C ATOM 298 O ARG S 20 19.010 11.972 8.479 1.00 0.00 O ATOM 299 CB ARG S 20 21.408 11.625 10.129 1.00 0.00 C ATOM 300 CG ARG S 20 21.046 11.426 11.601 1.00 0.00 C ATOM 301 CD ARG S 20 21.863 12.398 12.453 1.00 0.00 C ATOM 302 NE ARG S 20 21.561 12.021 13.862 1.00 0.00 N ATOM 303 CZ ARG S 20 20.498 12.501 14.450 1.00 0.00 C ATOM 304 NH1 ARG S 20 19.390 11.811 14.458 1.00 0.00 N ATOM 305 NH2 ARG S 20 20.546 13.667 15.031 1.00 0.00 N ATOM 0 H ARG S 20 22.747 10.334 8.562 1.00 0.00 H new ATOM 0 HA ARG S 20 20.099 9.879 9.864 1.00 0.00 H new ATOM 0 HB2 ARG S 20 22.490 11.591 10.003 1.00 0.00 H new ATOM 0 HB3 ARG S 20 21.079 12.609 9.794 1.00 0.00 H new ATOM 0 HG2 ARG S 20 19.980 11.597 11.753 1.00 0.00 H new ATOM 0 HG3 ARG S 20 21.250 10.399 11.903 1.00 0.00 H new ATOM 0 HD2 ARG S 20 22.928 12.310 12.240 1.00 0.00 H new ATOM 0 HD3 ARG S 20 21.582 13.432 12.252 1.00 0.00 H new ATOM 0 HE ARG S 20 22.183 11.389 14.367 1.00 0.00 H new ATOM 0 HH11 ARG S 20 19.355 10.898 14.005 1.00 0.00 H new ATOM 0 HH12 ARG S 20 18.559 12.185 14.917 1.00 0.00 H new ATOM 0 HH21 ARG S 20 21.413 14.204 15.026 1.00 0.00 H new ATOM 0 HH22 ARG S 20 19.716 14.042 15.490 1.00 0.00 H new ATOM 319 N ASN S 21 20.147 10.882 6.951 1.00 0.00 N ATOM 320 CA ASN S 21 19.360 11.524 5.868 1.00 0.00 C ATOM 321 C ASN S 21 19.668 13.014 5.905 1.00 0.00 C ATOM 322 O ASN S 21 18.933 13.838 5.397 1.00 0.00 O ATOM 323 CB ASN S 21 17.893 11.258 6.212 1.00 0.00 C ATOM 324 CG ASN S 21 17.152 10.791 4.957 1.00 0.00 C ATOM 325 OD1 ASN S 21 16.596 11.592 4.233 1.00 0.00 O ATOM 326 ND2 ASN S 21 17.120 9.518 4.668 1.00 0.00 N ATOM 0 H ASN S 21 20.866 10.227 6.643 1.00 0.00 H new ATOM 0 HA ASN S 21 19.590 11.145 4.872 1.00 0.00 H new ATOM 0 HB2 ASN S 21 17.823 10.500 6.992 1.00 0.00 H new ATOM 0 HB3 ASN S 21 17.430 12.163 6.605 1.00 0.00 H new ATOM 0 HD21 ASN S 21 16.628 9.197 3.834 1.00 0.00 H new ATOM 0 HD22 ASN S 21 17.587 8.845 5.276 1.00 0.00 H new ATOM 333 N LEU S 22 20.763 13.355 6.529 1.00 0.00 N ATOM 334 CA LEU S 22 21.161 14.775 6.645 1.00 0.00 C ATOM 335 C LEU S 22 22.685 14.866 6.677 1.00 0.00 C ATOM 336 O LEU S 22 23.312 14.386 7.595 1.00 0.00 O ATOM 337 CB LEU S 22 20.562 15.221 7.984 1.00 0.00 C ATOM 338 CG LEU S 22 20.730 16.733 8.181 1.00 0.00 C ATOM 339 CD1 LEU S 22 22.096 17.002 8.807 1.00 0.00 C ATOM 340 CD2 LEU S 22 20.629 17.464 6.835 1.00 0.00 C ATOM 0 H LEU S 22 21.404 12.694 6.968 1.00 0.00 H new ATOM 0 HA LEU S 22 20.817 15.394 5.816 1.00 0.00 H new ATOM 0 HB2 LEU S 22 19.504 14.961 8.019 1.00 0.00 H new ATOM 0 HB3 LEU S 22 21.048 14.687 8.801 1.00 0.00 H new ATOM 0 HG LEU S 22 19.939 17.099 8.835 1.00 0.00 H new ATOM 0 HD11 LEU S 22 22.225 18.075 8.951 1.00 0.00 H new ATOM 0 HD12 LEU S 22 22.161 16.496 9.770 1.00 0.00 H new ATOM 0 HD13 LEU S 22 22.879 16.628 8.147 1.00 0.00 H new ATOM 0 HD21 LEU S 22 20.750 18.536 6.993 1.00 0.00 H new ATOM 0 HD22 LEU S 22 21.411 17.105 6.166 1.00 0.00 H new ATOM 0 HD23 LEU S 22 19.653 17.271 6.389 1.00 0.00 H new ATOM 352 N SER S 23 23.290 15.440 5.669 1.00 0.00 N ATOM 353 CA SER S 23 24.766 15.521 5.635 1.00 0.00 C ATOM 354 C SER S 23 25.298 16.716 6.426 1.00 0.00 C ATOM 355 O SER S 23 24.554 17.544 6.912 1.00 0.00 O ATOM 356 CB SER S 23 25.126 15.687 4.170 1.00 0.00 C ATOM 357 OG SER S 23 23.982 15.434 3.363 1.00 0.00 O ATOM 0 H SER S 23 22.815 15.856 4.868 1.00 0.00 H new ATOM 0 HA SER S 23 25.205 14.632 6.087 1.00 0.00 H new ATOM 0 HB2 SER S 23 25.495 16.696 3.988 1.00 0.00 H new ATOM 0 HB3 SER S 23 25.930 15.001 3.903 1.00 0.00 H new ATOM 0 HG SER S 23 24.217 15.544 2.418 1.00 0.00 H new ATOM 363 N VAL S 24 26.597 16.808 6.537 1.00 0.00 N ATOM 364 CA VAL S 24 27.217 17.942 7.283 1.00 0.00 C ATOM 365 C VAL S 24 27.972 18.854 6.316 1.00 0.00 C ATOM 366 O VAL S 24 29.090 18.575 5.929 1.00 0.00 O ATOM 367 CB VAL S 24 28.198 17.327 8.298 1.00 0.00 C ATOM 368 CG1 VAL S 24 27.743 17.654 9.715 1.00 0.00 C ATOM 369 CG2 VAL S 24 28.266 15.809 8.148 1.00 0.00 C ATOM 0 H VAL S 24 27.259 16.142 6.140 1.00 0.00 H new ATOM 0 HA VAL S 24 26.457 18.540 7.786 1.00 0.00 H new ATOM 0 HB VAL S 24 29.185 17.748 8.107 1.00 0.00 H new ATOM 0 HG11 VAL S 24 28.439 17.217 10.431 1.00 0.00 H new ATOM 0 HG12 VAL S 24 27.716 18.736 9.848 1.00 0.00 H new ATOM 0 HG13 VAL S 24 26.747 17.243 9.881 1.00 0.00 H new ATOM 0 HG21 VAL S 24 28.966 15.402 8.877 1.00 0.00 H new ATOM 0 HG22 VAL S 24 27.277 15.382 8.317 1.00 0.00 H new ATOM 0 HG23 VAL S 24 28.603 15.557 7.142 1.00 0.00 H new ATOM 412 N LYS S 28 35.086 21.617 9.637 1.00 0.00 N ATOM 413 CA LYS S 28 34.979 20.633 10.751 1.00 0.00 C ATOM 414 C LYS S 28 34.063 21.194 11.842 1.00 0.00 C ATOM 415 O LYS S 28 33.208 20.506 12.367 1.00 0.00 O ATOM 416 CB LYS S 28 36.406 20.453 11.272 1.00 0.00 C ATOM 417 CG LYS S 28 36.363 19.806 12.657 1.00 0.00 C ATOM 418 CD LYS S 28 35.758 18.406 12.541 1.00 0.00 C ATOM 419 CE LYS S 28 34.528 18.301 13.444 1.00 0.00 C ATOM 420 NZ LYS S 28 34.981 17.506 14.620 1.00 0.00 N ATOM 0 HA LYS S 28 34.554 19.682 10.431 1.00 0.00 H new ATOM 0 HB2 LYS S 28 36.980 19.831 10.585 1.00 0.00 H new ATOM 0 HB3 LYS S 28 36.910 21.418 11.325 1.00 0.00 H new ATOM 0 HG2 LYS S 28 37.368 19.747 13.075 1.00 0.00 H new ATOM 0 HG3 LYS S 28 35.770 20.416 13.338 1.00 0.00 H new ATOM 0 HD2 LYS S 28 35.480 18.204 11.507 1.00 0.00 H new ATOM 0 HD3 LYS S 28 36.496 17.656 12.826 1.00 0.00 H new ATOM 0 HE2 LYS S 28 34.175 19.287 13.746 1.00 0.00 H new ATOM 0 HE3 LYS S 28 33.702 17.810 12.930 1.00 0.00 H new ATOM 0 HZ1 LYS S 28 34.186 17.376 15.278 1.00 0.00 H new ATOM 0 HZ2 LYS S 28 35.321 16.577 14.301 1.00 0.00 H new ATOM 0 HZ3 LYS S 28 35.752 18.009 15.103 1.00 0.00 H new ATOM 434 N ASN S 29 34.212 22.445 12.180 1.00 0.00 N ATOM 435 CA ASN S 29 33.316 23.019 13.218 1.00 0.00 C ATOM 436 C ASN S 29 31.885 22.988 12.697 1.00 0.00 C ATOM 437 O ASN S 29 30.965 22.652 13.409 1.00 0.00 O ATOM 438 CB ASN S 29 33.774 24.458 13.429 1.00 0.00 C ATOM 439 CG ASN S 29 35.276 24.483 13.716 1.00 0.00 C ATOM 440 OD1 ASN S 29 35.814 23.552 14.284 1.00 0.00 O ATOM 441 ND2 ASN S 29 35.981 25.516 13.346 1.00 0.00 N ATOM 0 H ASN S 29 34.904 23.084 11.789 1.00 0.00 H new ATOM 0 HA ASN S 29 33.354 22.462 14.154 1.00 0.00 H new ATOM 0 HB2 ASN S 29 33.553 25.054 12.543 1.00 0.00 H new ATOM 0 HB3 ASN S 29 33.228 24.906 14.259 1.00 0.00 H new ATOM 0 HD21 ASN S 29 36.983 25.543 13.533 1.00 0.00 H new ATOM 0 HD22 ASN S 29 35.530 26.297 12.870 1.00 0.00 H new ATOM 448 N GLU S 30 31.693 23.315 11.447 1.00 0.00 N ATOM 449 CA GLU S 30 30.319 23.277 10.881 1.00 0.00 C ATOM 450 C GLU S 30 29.753 21.872 11.072 1.00 0.00 C ATOM 451 O GLU S 30 28.587 21.695 11.365 1.00 0.00 O ATOM 452 CB GLU S 30 30.481 23.604 9.397 1.00 0.00 C ATOM 453 CG GLU S 30 30.749 25.101 9.232 1.00 0.00 C ATOM 454 CD GLU S 30 29.590 25.897 9.834 1.00 0.00 C ATOM 455 OE1 GLU S 30 28.461 25.651 9.440 1.00 0.00 O ATOM 456 OE2 GLU S 30 29.849 26.737 10.679 1.00 0.00 O ATOM 0 H GLU S 30 32.425 23.605 10.799 1.00 0.00 H new ATOM 0 HA GLU S 30 29.638 23.980 11.361 1.00 0.00 H new ATOM 0 HB2 GLU S 30 31.304 23.027 8.974 1.00 0.00 H new ATOM 0 HB3 GLU S 30 29.581 23.322 8.851 1.00 0.00 H new ATOM 0 HG2 GLU S 30 31.683 25.370 9.724 1.00 0.00 H new ATOM 0 HG3 GLU S 30 30.863 25.347 8.176 1.00 0.00 H new ATOM 463 N LEU S 31 30.584 20.870 10.942 1.00 0.00 N ATOM 464 CA LEU S 31 30.105 19.485 11.152 1.00 0.00 C ATOM 465 C LEU S 31 29.670 19.352 12.610 1.00 0.00 C ATOM 466 O LEU S 31 28.598 18.870 12.916 1.00 0.00 O ATOM 467 CB LEU S 31 31.333 18.607 10.881 1.00 0.00 C ATOM 468 CG LEU S 31 31.584 18.400 9.376 1.00 0.00 C ATOM 469 CD1 LEU S 31 31.137 16.992 8.982 1.00 0.00 C ATOM 470 CD2 LEU S 31 30.828 19.440 8.532 1.00 0.00 C ATOM 0 H LEU S 31 31.571 20.958 10.700 1.00 0.00 H new ATOM 0 HA LEU S 31 29.265 19.209 10.515 1.00 0.00 H new ATOM 0 HB2 LEU S 31 32.212 19.066 11.334 1.00 0.00 H new ATOM 0 HB3 LEU S 31 31.197 17.638 11.361 1.00 0.00 H new ATOM 0 HG LEU S 31 32.650 18.524 9.184 1.00 0.00 H new ATOM 0 HD11 LEU S 31 31.312 16.839 7.917 1.00 0.00 H new ATOM 0 HD12 LEU S 31 31.705 16.257 9.552 1.00 0.00 H new ATOM 0 HD13 LEU S 31 30.075 16.874 9.195 1.00 0.00 H new ATOM 0 HD21 LEU S 31 31.027 19.265 7.475 1.00 0.00 H new ATOM 0 HD22 LEU S 31 29.758 19.352 8.719 1.00 0.00 H new ATOM 0 HD23 LEU S 31 31.162 20.441 8.803 1.00 0.00 H new ATOM 482 N VAL S 32 30.499 19.809 13.507 1.00 0.00 N ATOM 483 CA VAL S 32 30.154 19.749 14.954 1.00 0.00 C ATOM 484 C VAL S 32 28.865 20.542 15.216 1.00 0.00 C ATOM 485 O VAL S 32 27.965 20.091 15.907 1.00 0.00 O ATOM 486 CB VAL S 32 31.393 20.368 15.642 1.00 0.00 C ATOM 487 CG1 VAL S 32 31.048 21.658 16.404 1.00 0.00 C ATOM 488 CG2 VAL S 32 31.976 19.353 16.628 1.00 0.00 C ATOM 0 H VAL S 32 31.407 20.224 13.298 1.00 0.00 H new ATOM 0 HA VAL S 32 29.951 18.745 15.328 1.00 0.00 H new ATOM 0 HB VAL S 32 32.114 20.619 14.864 1.00 0.00 H new ATOM 0 HG11 VAL S 32 31.949 22.057 16.871 1.00 0.00 H new ATOM 0 HG12 VAL S 32 30.643 22.394 15.709 1.00 0.00 H new ATOM 0 HG13 VAL S 32 30.307 21.439 17.173 1.00 0.00 H new ATOM 0 HG21 VAL S 32 32.850 19.782 17.117 1.00 0.00 H new ATOM 0 HG22 VAL S 32 31.226 19.103 17.379 1.00 0.00 H new ATOM 0 HG23 VAL S 32 32.267 18.450 16.091 1.00 0.00 H new ATOM 498 N GLN S 33 28.772 21.714 14.656 1.00 0.00 N ATOM 499 CA GLN S 33 27.557 22.549 14.850 1.00 0.00 C ATOM 500 C GLN S 33 26.348 21.900 14.178 1.00 0.00 C ATOM 501 O GLN S 33 25.241 21.986 14.666 1.00 0.00 O ATOM 502 CB GLN S 33 27.887 23.886 14.185 1.00 0.00 C ATOM 503 CG GLN S 33 28.773 24.716 15.116 1.00 0.00 C ATOM 504 CD GLN S 33 28.923 26.130 14.553 1.00 0.00 C ATOM 505 OE1 GLN S 33 28.782 27.101 15.270 1.00 0.00 O ATOM 506 NE2 GLN S 33 29.203 26.290 13.288 1.00 0.00 N ATOM 0 H GLN S 33 29.492 22.132 14.067 1.00 0.00 H new ATOM 0 HA GLN S 33 27.304 22.666 15.904 1.00 0.00 H new ATOM 0 HB2 GLN S 33 28.397 23.716 13.237 1.00 0.00 H new ATOM 0 HB3 GLN S 33 26.969 24.429 13.960 1.00 0.00 H new ATOM 0 HG2 GLN S 33 28.334 24.755 16.113 1.00 0.00 H new ATOM 0 HG3 GLN S 33 29.752 24.248 15.216 1.00 0.00 H new ATOM 0 HE21 GLN S 33 29.322 25.476 12.685 1.00 0.00 H new ATOM 0 HE22 GLN S 33 29.303 27.229 12.903 1.00 0.00 H new ATOM 515 N ARG S 34 26.538 21.261 13.055 1.00 0.00 N ATOM 516 CA ARG S 34 25.373 20.633 12.370 1.00 0.00 C ATOM 517 C ARG S 34 24.845 19.443 13.178 1.00 0.00 C ATOM 518 O ARG S 34 23.652 19.296 13.350 1.00 0.00 O ATOM 519 CB ARG S 34 25.900 20.164 11.004 1.00 0.00 C ATOM 520 CG ARG S 34 24.997 19.048 10.451 1.00 0.00 C ATOM 521 CD ARG S 34 24.431 19.442 9.084 1.00 0.00 C ATOM 522 NE ARG S 34 23.919 20.829 9.262 1.00 0.00 N ATOM 523 CZ ARG S 34 22.718 21.025 9.732 1.00 0.00 C ATOM 524 NH1 ARG S 34 21.710 20.352 9.249 1.00 0.00 N ATOM 525 NH2 ARG S 34 22.525 21.895 10.686 1.00 0.00 N ATOM 0 H ARG S 34 27.437 21.148 12.588 1.00 0.00 H new ATOM 0 HA ARG S 34 24.545 21.334 12.265 1.00 0.00 H new ATOM 0 HB2 ARG S 34 25.926 21.002 10.307 1.00 0.00 H new ATOM 0 HB3 ARG S 34 26.923 19.801 11.104 1.00 0.00 H new ATOM 0 HG2 ARG S 34 25.566 18.123 10.362 1.00 0.00 H new ATOM 0 HG3 ARG S 34 24.181 18.855 11.147 1.00 0.00 H new ATOM 0 HD2 ARG S 34 25.200 19.401 8.312 1.00 0.00 H new ATOM 0 HD3 ARG S 34 23.635 18.764 8.777 1.00 0.00 H new ATOM 0 HE ARG S 34 24.507 21.625 9.017 1.00 0.00 H new ATOM 0 HH11 ARG S 34 21.861 19.672 8.504 1.00 0.00 H new ATOM 0 HH12 ARG S 34 20.771 20.506 9.617 1.00 0.00 H new ATOM 0 HH21 ARG S 34 23.313 22.421 11.064 1.00 0.00 H new ATOM 0 HH22 ARG S 34 21.586 22.049 11.054 1.00 0.00 H new ATOM 539 N LEU S 35 25.697 18.582 13.668 1.00 0.00 N ATOM 540 CA LEU S 35 25.154 17.424 14.434 1.00 0.00 C ATOM 541 C LEU S 35 24.568 17.909 15.759 1.00 0.00 C ATOM 542 O LEU S 35 23.488 17.522 16.154 1.00 0.00 O ATOM 543 CB LEU S 35 26.310 16.472 14.757 1.00 0.00 C ATOM 544 CG LEU S 35 27.191 16.211 13.546 1.00 0.00 C ATOM 545 CD1 LEU S 35 28.421 15.415 13.982 1.00 0.00 C ATOM 546 CD2 LEU S 35 26.408 15.392 12.543 1.00 0.00 C ATOM 0 H LEU S 35 26.712 18.626 13.576 1.00 0.00 H new ATOM 0 HA LEU S 35 24.384 16.929 13.843 1.00 0.00 H new ATOM 0 HB2 LEU S 35 26.914 16.895 15.560 1.00 0.00 H new ATOM 0 HB3 LEU S 35 25.909 15.527 15.124 1.00 0.00 H new ATOM 0 HG LEU S 35 27.501 17.156 13.101 1.00 0.00 H new ATOM 0 HD11 LEU S 35 29.057 15.225 13.117 1.00 0.00 H new ATOM 0 HD12 LEU S 35 28.979 15.986 14.724 1.00 0.00 H new ATOM 0 HD13 LEU S 35 28.105 14.466 14.416 1.00 0.00 H new ATOM 0 HD21 LEU S 35 27.029 15.197 11.668 1.00 0.00 H new ATOM 0 HD22 LEU S 35 26.113 14.446 12.997 1.00 0.00 H new ATOM 0 HD23 LEU S 35 25.517 15.942 12.240 1.00 0.00 H new ATOM 558 N ILE S 36 25.301 18.734 16.463 1.00 0.00 N ATOM 559 CA ILE S 36 24.821 19.226 17.788 1.00 0.00 C ATOM 560 C ILE S 36 23.648 20.197 17.624 1.00 0.00 C ATOM 561 O ILE S 36 22.658 20.105 18.324 1.00 0.00 O ATOM 562 CB ILE S 36 26.035 19.920 18.406 1.00 0.00 C ATOM 563 CG1 ILE S 36 27.215 18.944 18.429 1.00 0.00 C ATOM 564 CG2 ILE S 36 25.712 20.349 19.839 1.00 0.00 C ATOM 565 CD1 ILE S 36 28.466 19.663 18.932 1.00 0.00 C ATOM 0 H ILE S 36 26.213 19.088 16.176 1.00 0.00 H new ATOM 0 HA ILE S 36 24.448 18.418 18.417 1.00 0.00 H new ATOM 0 HB ILE S 36 26.289 20.799 17.813 1.00 0.00 H new ATOM 0 HG12 ILE S 36 26.986 18.096 19.075 1.00 0.00 H new ATOM 0 HG13 ILE S 36 27.390 18.545 17.430 1.00 0.00 H new ATOM 0 HG21 ILE S 36 26.580 20.843 20.275 1.00 0.00 H new ATOM 0 HG22 ILE S 36 24.868 21.039 19.831 1.00 0.00 H new ATOM 0 HG23 ILE S 36 25.458 19.471 20.433 1.00 0.00 H new ATOM 0 HD11 ILE S 36 29.304 18.967 18.948 1.00 0.00 H new ATOM 0 HD12 ILE S 36 28.698 20.496 18.269 1.00 0.00 H new ATOM 0 HD13 ILE S 36 28.289 20.040 19.939 1.00 0.00 H new ATOM 577 N LYS S 37 23.739 21.123 16.711 1.00 0.00 N ATOM 578 CA LYS S 37 22.611 22.080 16.521 1.00 0.00 C ATOM 579 C LYS S 37 21.405 21.346 15.932 1.00 0.00 C ATOM 580 O LYS S 37 20.276 21.576 16.318 1.00 0.00 O ATOM 581 CB LYS S 37 23.132 23.133 15.544 1.00 0.00 C ATOM 582 CG LYS S 37 22.258 24.386 15.629 1.00 0.00 C ATOM 583 CD LYS S 37 21.840 24.816 14.222 1.00 0.00 C ATOM 584 CE LYS S 37 20.317 24.730 14.093 1.00 0.00 C ATOM 585 NZ LYS S 37 20.064 24.577 12.633 1.00 0.00 N ATOM 0 H LYS S 37 24.538 21.259 16.092 1.00 0.00 H new ATOM 0 HA LYS S 37 22.288 22.532 17.459 1.00 0.00 H new ATOM 0 HB2 LYS S 37 24.167 23.382 15.779 1.00 0.00 H new ATOM 0 HB3 LYS S 37 23.122 22.738 14.528 1.00 0.00 H new ATOM 0 HG2 LYS S 37 21.375 24.186 16.236 1.00 0.00 H new ATOM 0 HG3 LYS S 37 22.806 25.191 16.119 1.00 0.00 H new ATOM 0 HD2 LYS S 37 22.175 25.835 14.027 1.00 0.00 H new ATOM 0 HD3 LYS S 37 22.315 24.176 13.478 1.00 0.00 H new ATOM 0 HE2 LYS S 37 19.920 23.884 14.654 1.00 0.00 H new ATOM 0 HE3 LYS S 37 19.836 25.626 14.486 1.00 0.00 H new ATOM 0 HZ1 LYS S 37 19.040 24.511 12.463 1.00 0.00 H new ATOM 0 HZ2 LYS S 37 20.447 25.401 12.126 1.00 0.00 H new ATOM 0 HZ3 LYS S 37 20.528 23.712 12.289 1.00 0.00 H new ATOM 599 N ASP S 38 21.636 20.460 15.002 1.00 0.00 N ATOM 600 CA ASP S 38 20.504 19.706 14.391 1.00 0.00 C ATOM 601 C ASP S 38 19.941 18.696 15.395 1.00 0.00 C ATOM 602 O ASP S 38 18.745 18.540 15.530 1.00 0.00 O ATOM 603 CB ASP S 38 21.110 18.986 13.186 1.00 0.00 C ATOM 604 CG ASP S 38 20.003 18.275 12.406 1.00 0.00 C ATOM 605 OD1 ASP S 38 19.178 18.962 11.827 1.00 0.00 O ATOM 606 OD2 ASP S 38 19.999 17.055 12.401 1.00 0.00 O ATOM 0 H ASP S 38 22.560 20.225 14.639 1.00 0.00 H new ATOM 0 HA ASP S 38 19.681 20.359 14.101 1.00 0.00 H new ATOM 0 HB2 ASP S 38 21.622 19.701 12.542 1.00 0.00 H new ATOM 0 HB3 ASP S 38 21.857 18.264 13.518 1.00 0.00 H new ATOM 611 N ASP S 39 20.799 18.006 16.099 1.00 0.00 N ATOM 612 CA ASP S 39 20.313 17.005 17.093 1.00 0.00 C ATOM 613 C ASP S 39 19.691 17.713 18.300 1.00 0.00 C ATOM 614 O ASP S 39 18.776 17.212 18.921 1.00 0.00 O ATOM 615 CB ASP S 39 21.559 16.221 17.512 1.00 0.00 C ATOM 616 CG ASP S 39 21.227 15.349 18.725 1.00 0.00 C ATOM 617 OD1 ASP S 39 21.084 15.899 19.805 1.00 0.00 O ATOM 618 OD2 ASP S 39 21.121 14.146 18.552 1.00 0.00 O ATOM 0 H ASP S 39 21.813 18.092 16.029 1.00 0.00 H new ATOM 0 HA ASP S 39 19.544 16.354 16.678 1.00 0.00 H new ATOM 0 HB2 ASP S 39 21.905 15.599 16.687 1.00 0.00 H new ATOM 0 HB3 ASP S 39 22.370 16.908 17.755 1.00 0.00 H new